Chemical ID: 5758271

COC(=O)c1cnn2c1nccc2
Chemical ID:
5758271
Name [?]:
methyl 1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene-7-carboxylate
SMILES [?]:
COC(=O)c1cnn2c1nccc2
InChi [?]:
InChI=1/C8H7N3O2/c1-13-8(12)6-5-10-11-4-2-3-9-7(6)11/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,6,5,9,3,10,7,8,4,2/rA:13nCOCOCCNNCNCCC/rB:s1;s2;d3;s3;s5;d6;s7;d5s8;s9;d10;s11;s8d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7N3O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.53584
Area:334.356
Solvation:-2.82306
Coulombic:-27.6683
Bond Count [?]
All:14
Single:9
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:177.16
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.17
LogP (Chemaxon):0.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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